5MTQ

Crystal structure of M. tuberculosis InhA inhibited by PT511

5MTQ の概要

• エントリーDOI: 10.2210/pdb5mtq/pdb
• 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, ... (4 entities in total)
• 機能のキーワード: bacterial enoyl-acp reductase, diphenylether, residence time, oxidoreductase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 254111.94

構造登録者

Eltschkner, S.,Pschibul, A.,Spagnuolo, L.A.,Yu, W.,Tonge, P.J.,Kisker, C. (登録日: 2017-01-10, 公開日: 2017-02-15, 最終更新日: 2024-01-17)

• 主引用文献: Spagnuolo, L.A.,Eltschkner, S.,Yu, W.,Daryaee, F.,Davoodi, S.,Knudson, S.E.,Allen, E.K.,Merino, J.,Pschibul, A.,Moree, B.,Thivalapill, N.,Truglio, J.J.,Salafsky, J.,Slayden, R.A.,Kisker, C.,Tonge, P.J.; Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.; J. Am. Chem. Soc., 139:3417-3429, 2017; PubMed: 28151657; DOI: 10.1021/jacs.6b11148

実験手法

X-RAY DIFFRACTION (2.6 Å)